Enzyme research embraces many disciplines and connects scientists from different fields. This thematic issue will highlight enzyme-mediated chemical transformations, their elucidation, and their purposing for roles outside their normal biological contexts. It will encompass enzyme kinetics, enzyme inhibitors and inhibitor discovery, enzyme engineering, design and validation of enzymatic reactions, enzymes in organic reactions, and enzymes in industry. These areas naturally include experimental enzyme function assignment and determination of enzyme mechanisms.
Graphical Abstract
Scheme 1: Nicotine catabolism in A. nicotinovorans. The respective gene names are given in parentheses.
Scheme 2: Hydroxylation of nicotine by the molybdopterin cofactor of nicotine dehydrogenase.
Figure 1: Overlay of the structure of LHNO (blue, pdb file 3NG7) with that of human MAO B (orange, pdb file 2...
Scheme 3: Proposed mechanism of LHNO [21].
Scheme 4: Mechanism of LHNO.
Figure 2: Overlay of the structures of DHNO (blue, pdb file 2bvf) and tirandamycin oxidase (orange, pdb file ...
Scheme 5: Proposed mechanism for DHNO [27].
Scheme 6: Mechanism of 2,6-dihydroxypseudooxynicotine hydrolase [37].
Figure 3: Overlay of structures of salicylate hydroxylase (orange, pdb file 5evy) and 2,3-dihydroxypyridine 3...
Scheme 7: Mechanism of 2,3-dihydroxypyridine 3-hydroxylase [42].
Scheme 8: The pyrrolidine pathway for nicotine degradation by pseudomonads. The gene names for P. putida S16 ...
Figure 4: Overlay of the structure of LHNO (magenta, pdb file 3NG7) with that of NicA2 (magenta, pdb file 5tt...
Scheme 9: The pseudooxynicotine amine oxidase reaction.
Scheme 10: Mechanism of HspB [59].
Scheme 11: Hybrid pyridine/pyrrolidine pathway for nicotine metabolism in Agrobacter tumefaciens S33 (black), ...
Graphical Abstract
Figure 1: A multi-enzymatic synthesis of modified adenosine -5'-monophosphates.
Figure 2: Nucleotide synthesis using phosphoribosyltransferases.
Figure 3: Dependence of TthHPRT and TthAPRT activity on temperature (reaction mixtures (0.5 mL) contained 20 ...
Figure 4: Dependence of TthHPRT and TthAPRT activity on the Mg2+ concentration (reaction mixtures (0.5 mL) co...
Figure 5: Lineweaver–Burk plot for synthesis of inosine-5'-monophosphate and guanosine-5'-monophosphate.
Figure 6: Synthesis of nucleotides 2Cl-AMP and Allop-MP using phosphoribosyltransferases TthAPRT or TthHPRT r...
Graphical Abstract
Figure 1: Michaelis–Menten plot. The rate of product formation is plotted versus substrate concentration and ...
Figure 2: Fitting data to derive kcat and Km. A) Synthetic data were fit to a straight line and then the obse...
Figure 3: Fitting steady state data by simulation. A) Synthetic data from Figure 2A were fit globally to derive estima...
Figure 4: Fitting full progress curve data by simulation. A) Synthetic data were generated and then were fit ...
Figure 5: Optimal spacing of data points. Different scenarios for computing the distribution of data points f...
Figure 6: Free energy profiles. Free energy profiles are shown for a three step model with different rate con...
Figure 7: Free energy profile for DNA polymerization. Free energy profiles for a correct base pair (solid blu...
Graphical Abstract
Scheme 1: The variety of forms of enzyme-bound ThDP.
Figure 1: A) 2D representation of ThDP (blue) and the residues included in the active site models, and B) opt...
Figure 2: Optimized structures of the states of ThDP in the absence of enzyme (model A). Relative energies ar...
Figure 3: Optimized structures of the states of BFDC-bound ThDP in the absence of ligand (model B). Relative ...
Figure 4: Optimized structures of the ThDP states for the model including the crystallographic water (model C...
Figure 5: Optimized structures of the ThDP states in the BFDC active site containing the substrate, benzoylfo...
Figure 6: Optimized structures of the ThDP states for the model including (R)-mandelate (model E). Relative e...